N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide

C21H18ClFN2O4S — CID 21366794

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O4S/c1-14(29-19-9-5-16(23)6-10-19)21(26)24-17-7-11-20(12-8-17)30(27,28)25-18-4-2-3-15(22)13-18/h2-14,25H,1H3,(H,24,26)
InChIKeyPHAWIDJSDCRCRB-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.69
Rot. Bonds7

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 21366794) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID21366794
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O4S/c1-14(29-19-9-5-16(23)6-10-19)21(26)24-17-7-11-20(12-8-17)30(27,28)25-18-4-2-3-15(22)13-18/h2-14,25H,1H3,(H,24,26)
InChIKeyPHAWIDJSDCRCRB-UHFFFAOYSA-N
XLogP4.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 43916851
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide (CID 21366794) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is PHAWIDJSDCRCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c1-14(29-19-9-5-16(23)6-10-19)21(26)24-17-7-11-20(12-8-17)30(27,28)25-18-4-2-3-15(22)13-18/h2-14,25H,1H3,(H,24,26).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 448.90 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 21366794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).